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canSAR645714
FEATURES
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NAMES
    SMILES
    Ic1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C28H31IN2O.C4H4O4/c29-27-15-7-9-24(23-27)10-8-16-30-17-19-31(20-18-30)21-22-32-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26;5-3(6)1-2-4(7)8/h1-15,23,28H,16-22H2;1-2H,(H,5,6)(H,7,8)/b10-8+;2-1-
    MOLECULAR FORMULA
    C32H35IN2O5
    CROSS REFERENCES
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    canSAR645714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.16
    AlogP 5.44
    HBond donors 2
    HBond acceptors 7
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645714.